Journal
DRUG DISCOVERY TODAY
Volume 13, Issue 23-24, Pages 1052-1058Publisher
ELSEVIER SCI LTD
DOI: 10.1016/j.drudis.2008.08.001
Keywords
-
Categories
Funding
- Barcelona supercomputing center
- Acellera Ltd
- Sony Computer Entertainment Spain
- Nvidia corporation
- Aneurist project
- Ramon y Cajal scheme
Ask authors/readers for more resources
The recent introduction of cost-effective accelerator processors (APs), such as the IBM Cell processor and Nvidia's graphics processing units (GPUs), represents an important technological innovation which promises to unleash the full potential of atomistic molecular modeling and simulation for the biotechnology industry. Present APs can deliver over an order of magnitude more floating-point operations per second (Hops) than standard processors, broadly equivalent to a decade of Moore's law growth, and significantly reduce the cost of current atom-based molecular simulations. In conjunction with distributed and grid-computing solutions, accelerated molecular simulations may finally be used to extend Current in silico protocols by the use of accurate thermodynamic calculations instead of approximate methods and simulate hundreds of protein-ligand complexes with full molecular I specificity, a crucial requirement of in silico drug discovery workflows.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available